2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole

C17H12Cl4N2 — CID 141255861

IUPAC2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole
SMILESCc1[nH]c(Cc2ccccc2Cl)nc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl4N2/c1-9-17(11-7-14(20)15(21)8-13(11)19)23-16(22-9)6-10-4-2-3-5-12(10)18/h2-5,7-8H,6H2,1H3,(H,22,23)
InChIKeyUMQKDHUYGHLCIS-UHFFFAOYSA-N
MW386.11 g/mol
LogP6.59
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole

2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole (PubChem CID 141255861) has the molecular formula C17H12Cl4N2 and a molecular weight of 386.11 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole
PubChem CID141255861
Molecular FormulaC17H12Cl4N2
Molecular Weight386.11 g/mol
Exact Mass383.98
IUPAC Name2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole
SMILESCc1[nH]c(Cc2ccccc2Cl)nc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl4N2/c1-9-17(11-7-14(20)15(21)8-13(11)19)23-16(22-9)6-10-4-2-3-5-12(10)18/h2-5,7-8H,6H2,1H3,(H,22,23)
InChIKeyUMQKDHUYGHLCIS-UHFFFAOYSA-N
XLogP6.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.11
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole (CID 141255861) is 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole is Cc1[nH]c(Cc2ccccc2Cl)nc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole?
The InChIKey is UMQKDHUYGHLCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2/c1-9-17(11-7-14(20)15(21)8-13(11)19)23-16(22-9)6-10-4-2-3-5-12(10)18/h2-5,7-8H,6H2,1H3,(H,22,23).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole?
2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole has a molecular weight of 386.11 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole is sourced from PubChem (CID 141255861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).